Structure and spectroscopy of propane and propene in the solid state from neutron powder diffraction and inelastic neutron scattering

We have carried out a variable-temperature high-resolution neutron powder diffraction study of perdeuterated propane and propene, as well as an inelastic neutron spectroscopy study of both the protiated and deuterated isotopologues of each substance. Coupled with first-principles computer simulations, these provide new insights into the structure and properties of these cosmically abundant molecular solids.

Lighting up materials with X-rays: advanced X-ray excited optical luminescence probe at the BM08-XAFS/XRF beamline, SESAME

An advanced X-ray excited optical luminescence experimental probe has been developed and commissioned at the BM08-XAFS/XRF beamline, SESAME. The setup is now available to users for measuring emission spectra and performing hyperspectral mapping of a wide range of optical materials over the 200–950 nm spectral range, under monochromatic X-ray beam and laser (UV–Vis/NIR) excitation.

New frontiers in the structural analysis of nanomaterials: a deep-learning leap to bridge the gap in crystalline order

We address the challenge of solving ab initio crystal structures from X-ray powder diffraction (XRPD) data acquired from nanomaterials. Our approach employs artificial intelligence to pre-process XRPD profiles with the aim of recovering information lost by lack of crystalline order.